octadecyl (E)-2-(hydroxymethyl)-2-oxidanyl-3-oxidanylidene-icos-11-enoate

Systemtic Name: octadecyl (E)-2-(hydroxymethyl)-2-oxidanyl-3-oxidanylidene-icos-11-enoate Openeye Name: octadecyl (E)-2-hydroxy-2-(hydroxymethyl)-3-oxo-icos-11-enoate CAS Name: (E)-2-hydroxy-2-(hydroxymethyl)-3-oxo-11-eicosenoic acid octadecyl ester IUPAC Name: octadecyl (E)-2-hydroxy-2-(hydroxymethyl)-3-oxoicos-11-enoate Traditional Name: (E)-2-hydroxy-3-keto-2-methylol-eicos-11-enoic acid stearyl ester Formula: C39H74O5 MolecularWeight: 623.00186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CO)(C(=O)CCCCCCCC=CCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CO)(C(=O)CCCCCCC/C=C/CCCCCCCC)O

InChI

InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-38(42)39(43,36-40)37(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,40,43H,3-17,19,21-36H2,1-2H3/b20-18+